SCHEMBL13680713

SCHEMBL13680713

CC(=O)c1ncc(-c2ccc(C)o2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 7/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALOX15 P16050 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13680702 0.79 KDM4E (0.50) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680715 0.77 TDP1 (0.42) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680718 0.74 ALDH1A1 (0.39) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680711 0.74 ALDH1A1 (0.39) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680568 0.73 P4HTM (0.44) GSK3BALDH1A1KDM4EMAPTKMT2A
SCHEMBL13681005 0.73 ALDH1A1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL13680716 0.73 MAPT (0.39) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680452 0.73 GSK3B (0.61) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680700 0.71 MAP4K4 (0.41) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL13680709 0.71 GRM5 (0.37) GSK3BALDH1A1KDM4ESMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed